Unravel the Tangle: Atomistic Insight into Ultrahigh Curcumin‐Loaded Polymer Micelles

J Kehrein, E Gürsöz, M Davies, R Luxenhofer… - Small, 2023 - Wiley Online Library
Amphiphilic ABA‐triblock copolymers, comprised of poly (2‐oxazoline) and poly (2‐
oxazine), can solubilize poorly water‐soluble molecules in a structure‐dependent manner …

Influence mechanism of different organic solvents on API solvation behaviors: Molecular dynamics simulations

X Zhu, Y Huang, M Zhang, Y Ji - Fluid Phase Equilibria, 2023 - Elsevier
Solubilities of active pharmaceutical ingredients (APIs) in different solvents are important
fundamental properties and are of particular interest in purification (eg crystallization) of APIs …

Molecular Modeling in Drug Delivery: Polymer Protective Coatings as Case Study

A Bunker, J Kehrein - … Pharmaceutics: AI and Modeling in Pharma …, 2024 - books.google.com
In this chapter, we discuss the use of the computational technique of molecular dynamics
(MD) simulation as a design tool for the development of polymers as a means to enhance …

Unravel the tangle: atomistic insight into ultrahigh curcumin-loaded poly (2-oxazoline) and poly (2-oxazine)-based micelles

J Kehrein, E Gürsöz, R Luxenhofer, A Bunker - 2023 - chemrxiv.org
Amphiphilic ABA-triblock copolymers, comprised of poly (2-oxazoline) and poly (2-oxazine)
blocks, can solubilize poorly water-soluble molecules; they form micelles with exceptionally …